SCHEMBL28136284

SCHEMBL28136284

COC(=O)Cc1cc([N+](=O)[O-])c(F)cc1C

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.58
FGFR1 P11362 1/20 0.58
PDGFRA P16234 1/20 0.58
FLT1 P17948 1/20 0.58
FGFR3 P22607 1/20 0.58
KDR P35968 1/20 0.58
ALDH1A1 P00352 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 3/20 0.43
RECQL P46063 2/20 0.41
HTT P42858 1/20 0.40
RAB9A P51151 2/20 0.39
MAPT P10636 3/20 0.39
GAA P10253 2/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
IMPDH2 P12268 1/20 0.38
NPC1 O15118 1/20 0.37
MAPK1 P28482 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7976503 0.88 PDGFRB (0.53) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL4277099 0.87 MAPT (0.44) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL7964999 0.87 PDGFRB (0.52) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL31727099 0.85 PDGFRB (0.60) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL12359628 0.85 PDGFRB (0.60) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL10714392 0.84 PDGFRB (0.50) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL7975215 0.84 PDGFRB (0.50) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL4423582 0.84 CYP1A2 (0.49) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL17009935 0.84 CYP1A2 (0.49) PDGFRBFGFR1PDGFRAFLT1FGFR3
SCHEMBL28847430 0.82 ALDH1A1 (0.41) PDGFRBFGFR1PDGFRAFLT1FGFR3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108026052-B 5-hydroxyalkyl benzimidazoles as mIDH1 inhibitors 德国癌症研究公共权益基金会 2021-10-08 CN disclosed
CN-107810176-B N-menthyl benzimidazoles as mIDH1 inhibitors 德国癌症研究公共权益基金会 2020-10-16 CN disclosed
CN-106573897-B Benzimidazol-2-amines as mIDH1 inhibitors 拜耳制药股份公司 2019-09-24 CN disclosed
CN-106573897-A Benzimidazol-2-amines as MiDH1 inhibitors 拜耳制药股份公司 2017-04-19 CN disclosed